Summary

IMPPAT Phytochemical identifier: IMPHY006847

Phytochemical name: cis-6-Nonenal

Synonymous chemical names:
(z)-6-nonenal, cis-6-nonenal

External chemical identifiers:
CID:5362720, ChEBI:142591, ZINC:ZINC000005227006, FDASRS:D8027Y6086, SureChEMBL:SCHEMBL580567, MolPort-001-793-747

---

Chemical structure information

SMILES:
O=CCCCC/C=CCC

InChI:
InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h3-4,9H,2,5-8H2,1H3/b4-3-

InChIKey:
RTNPCOBSXBGDMO-ARJAWSKDSA-N

DeepSMILES:
O=CCCCC/C=CCC

Functional groups:
C/C=CC, CC=O

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty aldehydes

NP-Likeness score: 2.22

---

Chemical structure download